SCHEMBL17077860

SCHEMBL17077860

CC(=O)c1ccc(Nc2nc(C)ccc2N)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ MAPT P10636 5/20 0.47
▸ TTBK1 Q5TCY1 1/20 0.47
▸ TTBK2 Q6IQ55 1/20 0.47
▸ GUSB P08236 1/20 0.46
▸ HTT P42858 3/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ KDM4E B2RXH2 4/20 0.45
▸ LMNA P02545 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ GAA P10253 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ RAD52 P43351 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ DNMT1 P26358 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17077872 0.84 RAB9A (0.47) NPC1RAB9AMAPTTTBK1TTBK2
SCHEMBL12727110 0.80 RAB9A (0.47) NPC1RAB9AMAPTKDM4ELMNA
SCHEMBL17077800 0.80 SYK (0.46) NPC1RAB9AMAPTTTBK1TTBK2
SCHEMBL17077769 0.77 KMT2A (0.57) NPC1RAB9AMAPTGUSBHTT
SCHEMBL13506395 0.77 CYP1A2 (0.49) RAB9AMAPTHTTKDM4ELMNA
SCHEMBL6803840 0.76 CA12 (0.58) NPC1RAB9AMAPTTTBK1TTBK2
SCHEMBL1623514 0.75 MEN1 (0.41) NPC1RAB9AMEN1KMT2A
SCHEMBL25647004 0.74 GRM5 (0.46) RAB9ANPSR1KDM4ELMNAALDH1A1
SCHEMBL6906973 0.72 RAB9A (0.60) NPC1RAB9AMAPTHTTNPSR1
SCHEMBL3501270 0.72 DNMT1 (0.75) NPC1RAB9AMAPTGUSBHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3116858-B1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC (JP) 2020-11-11 — — EP disclosed
EP-3116858-B1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC (JP) 2020-11-11 — — EP disclosed
US-20180339993-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2018-11-29 — — US disclosed
US-10093678-B2 Azaspiro derivatives as TRPM8 antagonists RAQUALIA PHARMA INC. (JP) 2018-10-09 — — US disclosed
EP-3116858-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RaQualia Pharma Inc. (JP) 2017-01-18 — — EP disclosed
US-20170002016-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2017-01-05 — — US disclosed
US-20170002016-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2017-01-05 — — US disclosed
US-20170002016-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2017-01-05 — — US disclosed
WO-2015136947-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2015-09-17 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170002016-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS TRPM8, TRPM7, TRPM5 NPC1 459/4885RAB9A 1225/4885MAPT 2779/4885
US-10093678-B2 Azaspiro derivatives as TRPM8 antagonists TRPM8, TRPM7, TRPM5 NPC1 459/4885RAB9A 1225/4885MAPT 2779/4885
US-20180339993-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS TRPM8, TRPM7, TRPM6 NPC1 421/4885RAB9A 1184/4885MAPT 2733/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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